碳酸,辛基苯基甲基酯 | 127027-42-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 碳酸,辛基苯基甲基酯
• 英文名称: benzyl-n-octyl carbonate
• 英文别名: carbonic acid benzyl ester octyl ester；benzyl octyl carbonate
• CAS: 127027-42-3
• 化学式: C₁₆H₂₄O₃
• 分子量: 264.365
• InChiKey: HXFGSENNHVGRLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  碳酸,辛基苯基甲基酯 在 双三氟甲烷磺酰亚胺 作用下， 以85%的产率得到辛醇
  参考文献：
  名称：

  Palladium nanoparticle-modified carbon nanotubes for electrochemical hydrogenolysis in ionic liquids

  摘要：

  介绍了苄基和羧基苄基保护基团的电化学氢解。通过优化合成方案，在多壁碳纳米管（CNT）表面获得了定义明确的钯（Pd）纳米粒子。对高比表面积复合材料进行了研究，并讨论了在水性和离子液体体系中观察到的相同复合材料伏安特性的差异。当用于还原离子液体（IL）中的酸性质子时，1-乙基-3-甲基咪唑鎓双（三氟甲基磺酰基）亚胺（[C2mim][NTf2]）反应性氢化钯有效形成，并迅速进行氢解。研究了 1-(3-(苄氧基)丙基)-4-甲氧基苯、辛基碳酸苄酯、N,N′-双(苄氧基羰基)-L-赖氨酸和 N-苄基-L-脯氨醇等化合物。双（三氟甲基磺酰基）亚胺（H[NTf2]）在含有苄基和羧基苄基保护的醇基团的[C2mim][NTf2]中的扩展电解得到了高产率的醇产物。此外，还报告了类似受保护胺基团的可能氢解情况。

  DOI：

  10.1039/c1nj20070d
• 作为产物：
  描述：

  苯甲醇 、 alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 、 4 A molecular sieve 作用下， 以 异丙醚 为溶剂， 反应 1.5h， 生成 碳酸,辛基苯基甲基酯
  参考文献：
  名称：

  Vinyl carbonates as novel alkoxycarbonylation reagents in enzymatic synthesis of carbonates.

  摘要：

  Carbonates could be obtained by enzymatic alkoxycarbonylation from vinyl carbonates, which are easily prepared from vinyl chloroformate. The reaction was catalyzed by Candida antarctica lipases, SP 435 and SP 435 A. The method could be also used for the synthesis of carbamates. When racemic alcohols were used, lipase catalyzed their resolution, and chiral carbonates were obtained with different enantiomeric excesses depending upon the structure of the alcohol.

  DOI：

  10.1016/s0040-4020(01)88237-5

文献信息

• Mild and efficient capture and functionalisation of CO2 using silver(i) oxide and application to 13C-labelled dialkyl carbonates
  作者：Gemma A. Tunbridge、Riccardo Baruchello、Lorenzo Caggiano

  DOI：10.1039/c3ra23281f

  日期：——

  A high yielding three-component reaction between β-iodo ethylamine derivatives, MeOH and gaseous CO2 at ambient temperatures and pressures is reported using silver(I) oxide. Unfunctionalised alkyl iodides were also found to be effective in this transformation and their optimisation is also described. To highlight the ease and control with which gaseous CO2 can be captured and functionalised under mild conditions, the reaction was performed using 13C-enriched CO2 to afford specifically 13C-carbonyl-labelled dialkyl carbonates with exquisite control of the isotopic purity in good yields and without the need for specialised equipment.

  报道了一种高产率的三组分反应，涉及β-碘乙胺衍生物、甲醇和在常温常压下的气态二氧化碳，使用氧化银（I）作为催化剂。未官能化的烷基碘化物也被发现在此转化中有效，并且也描述了它们的优化。为了突出在温和条件下捕获和官能化气态二氧化碳的简便性和控制性，该反应采用13C标记的二氧化碳进行，从而在无需特殊设备的情况下，以良好产率和精细控制的同位素纯度得到特异的13C-羰基标记的二烷基碳酸酯。
• Synthesis of Mixed Carbonates via a Three-Component Coupling of Alcohols, CO2, and Alkyl Halides in the Presence of K2CO3 and Tetrabutylammonium Iodide
  作者：Min Shi、Yu-Mei Shen

  DOI：10.3390/70400386

  日期：——

  Various mixed carbonates can be conveniently prepared in good yields using the corresponding alcohols, alkyl halides under CO2 atmosphere in the presence of potassium carbonate or sodium carbonate and tetrabutylammonium iodide.

  可以方便地在二氧化碳气氛下，使用相应的醇、烷基卤化物，在氢氧化钾或氢氧化钠及碳酸四丁铵的存在下，合成各种混合碳酸盐，并获得良好的产率。
• Solubilizing agents for active or functional organic compounds
  申请人：Bertz H. Steven

  公开号：US20070172437A1

  公开（公告）日：2007-07-26

  An active or functional organic compound is solubilized by an ester of an aryl alcohol, e.g., phenethyl, benzyl or substituted benzyl alcohol, and an alkyl or cycloalkyl carboxylic acid, or by a carbonate of said aryl alcohol and an alkyl or cycloalkyl carbonic acid.

  一个活性或功能性有机化合物通过芳基醇的酯（例如苯乙基、苄基或取代苄基醇）和烷基或环烷基羧酸，或者通过该芳基醇的碳酸酯和烷基或环烷基碳酸溶解。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, And Composition For Transfer And Storage Of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Shinohata Masaaki

  公开号：US20110133121A1

  公开（公告）日：2011-06-09

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明涉及一种从有机胺、碳酸衍生物和含有一种或多种羟基化合物中制得的N-取代氨基甲酸酯的制备方法，其中使用一种含有冷凝器的脲类生产反应容器反应有机胺、碳酸衍生物和羟基化合物，将含有羟基化合物的气体、来自碳酸衍生物衍生的含有羰基基团的化合物、以及在反应中形成的氨气体引入到脲类生产反应容器中的冷凝器中，使羟基化合物和含有羰基基团的化合物冷凝，其中在冷凝的羟基化合物中所含有的羟基化合物与冷凝的含有羰基基团的化合物中所含有的羰基基团的化合物的比例为1或更多，而且在从冷凝器中回收的氨气体中所含有的羰基基团（—C(═O)—）数与氨分子数的比例为1或更少。
• N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound
  申请人：Asahi Kasei Chemicals Corporation

  公开号：US20140194650A1

  公开（公告）日：2014-07-10

  The present invention is a method for producing an N-substituted carbamic acid ester derived from an organic amine from an organic amine, a carbonic acid derivative and a hydroxy composition containing one or more types of hydroxy compounds, wherein the organic amine, the carbonic acid derivative and the hydroxy composition are reacted using a urethane production reaction vessel provided with a condenser, a gas containing the hydroxy composition, the compound having the carbonyl group derived from the carbonic acid derivative, and an ammonia formed as a by-product in the reaction, is introduced into the condenser provided in the urethane production reaction vessel, and the hydroxy composition and the compound having the carbonyl group derived from the carbonic acid derivative are condensed, and wherein a stoichiometric ratio of a hydroxy compound contained in the condensed hydroxy composition to the condensed compound having the carbonyl group derived from the carbonic acid derivative is 1 or more, and a ratio of number of carbonyl groups (—C(═O)—) contained in the compound having the carbonyl group derived from the carbonic acid derivative and number of ammonia molecules contained in the ammonia recovered as a gas from the condenser is 1 or less.

  本发明是一种从有机胺、碳酸酯衍生物和含有一种或多种羟基化合物中制备N-取代的氨基甲酸酯的方法，其中利用一种尿素生产反应容器反应有机胺、碳酸酯衍生物和羟基化合物，该反应容器配有冷凝器，将含有羟基化合物的气体、由碳酸酯衍生物产生的含有羰基基团的化合物以及在反应中生成的氨引入到尿素生产反应容器中的冷凝器中，将羟基化合物和含有羰基基团的碳酸酯衍生物冷凝，其中在冷凝的羟基化合物中所含的羟基化合物的化学计量比与所冷凝的含有羰基基团的化合物的化学计量比为1或更多，而且所含有羰基基团的化合物中所含的羰基基团（-C(═O)-）的数量与从冷凝器中回收的氨分子数量的比率为1或更小。